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All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes. One important requirement is a sufficiently realistic and detailed description of the underlying intermolecular…

Chemical Physics · Physics 2022-06-15 K. Töpfer , M. Upadhyay , M. Meuwly

Chemistry occurring at or near the surfaces of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the…

Soft Condensed Matter · Physics 2013-07-01 Douglas J. Tobias , Abraham C. Stern , Marcel D. Baer , Yan Levin , Christopher J. Mundy

Current experimental and theoretical studies on the effect of intermolecular interactions on molecular conduction appear to be in conflict with each other. In particular, some experimental results, e.g., the observation of 2-dimensional…

Mesoscale and Nanoscale Physics · Physics 2007-07-23 A. Landau , L. Kronik , A. Nitzan

Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…

Soft Condensed Matter · Physics 2022-12-07 Joseph M. Monti , Gary S. Grest

We develop a statistical approach for description of dense structures (cores) in molecular clouds that might be progenitors of stars. Our basic assumptions are a core mass-density relationship and a power-law density distribution of these…

Solar and Stellar Astrophysics · Physics 2012-06-08 Sava Donkov , Orlin Stanchev , Todor V. Veltchev

Larson (1981) first noted a scaling relation between masses and sizes in molecular clouds that implies that these objects have approximately constant column densities. This original claim, based upon millimeter observations of carbon…

Astrophysics of Galaxies · Physics 2015-05-19 Marco Lombardi , Joao Alves , Charles J. Lada

What cosmic ray ionisation rate is required such that a non-ideal magnetohydrodynamics (MHD) simulation of a collapsing molecular cloud will follow the same evolutionary path as an ideal MHD simulation or as a purely hydrodynamics…

Solar and Stellar Astrophysics · Physics 2018-02-28 James Wurster , Matthew R. Bate , Daniel J. Price

In order to investigate the origin of the interstellar turbulence, detailed observations in the CO J=1--0 and 3--2 lines have been carried out in an interacting region of a molecular cloud with an HII region. As a result, several 1,000 to…

This paper combines observational datasets and cosmological simulations to generate realistic numerical replicas of the nearby Universe. These latter are excellent laboratories for studies of the non-linear process of structure formation in…

Observations reveal concentrations of molecular line emission on the sky, called ``clumps,'' in dense, star-forming molecular clouds. These clumps are believed to be the eventual sites of star formation. We study the three-dimensional…

Astrophysics · Physics 2009-11-07 C. F. Gammie , Y. -T. Lin , J. M. Stone , E. C. Ostriker

Recent submillimeter and far-infrared wavelength observations of absorption in the rotational ground-state lines of various simple molecules against distant Galactic continuum sources have opened the possibility of studying the chemistry of…

Astrophysics of Galaxies · Physics 2017-02-21 B. Winkel , H. Wiesemeyer , K. M. Menten , M. Sato , A. Brunthaler , F. Wyrowski , D. Neufeld , M. Gerin , N. Indriolo

In order to understand the origin of observed molecular cloud properties, it is critical to understand how clouds interact with their environments during their formation, growth, and collapse. It has been suggested that accretion-driven…

Astrophysics of Galaxies · Physics 2018-12-21 Juan C. Ibáñez-Mejía , Mordecai-Mark Mac Low , Ralf S. Klessen , Christian Baczynski

Molecular clouds are regions of dense gas and dust in space where new stars and planets are born. There is a strong correlation between the distribution of dust and molecular gas in molecular clouds. The present work focuses on the…

Astrophysics of Galaxies · Physics 2024-10-28 Rui-Zhi Li , Bing-Qiu Chen , Guang-Xing Li , Bo-Ting Wang , Hao-Ming Ren , Qi-Ning Guo

Ionic liquids are widely used as electrolytes in electrochemical devices. In this context, many experimental and theoretical approaches have been recently developed for characterizing their interface with electrodes. In this perspective…

Materials Science · Physics 2017-09-13 Céline Merlet , Benjamin Rotenberg , Paul Madden , Mathieu Salanne

We discuss HD and MHD compressible turbulence as a cloud-forming and cloud-structuring mechanism in the ISM. Results from a numerical model of the turbulent ISM at large scales suggest that the phase-like appearance of the medium, the…

Astrophysics · Physics 2007-05-23 Enrique Vazquez-Semadeni

The structure of molecular clouds can be characterized with the probability distribution function (PDF) of the mass surface density. In particular, the properties of the distribution can reveal the nature of the turbulence and star…

Astrophysics of Galaxies · Physics 2015-06-22 Rachel L. Ward , James Wadsley , Alison Sills

We simulate the liquid silicon surface with first-principles molecular dynamics in a slab geometry. We find that the atom-density profile presents a pronounced layering, similar to those observed in low-temperature liquid metals like Ga and…

Soft Condensed Matter · Physics 2009-10-31 G. Fabricius , E. Artacho , D. Sanchez-Portal , P. Ordejon , D. A. Drabold , J. M. Soler

A considerable amount of research is concerned with the generation of realistic sensor data. LiDAR point clouds are generated by complex simulations or learned generative models. The generated data is usually exploited to enable or improve…

Computer Vision and Pattern Recognition · Computer Science 2022-09-01 Larissa T. Triess , Christoph B. Rist , David Peter , J. Marius Zöllner

We investigate the spectral correlations between different species used to observe molecular clouds. We use hydrodynamic simulations and a full chemical network to study the abundances of over 150 species in typical Milky Way molecular…

Solar and Stellar Astrophysics · Physics 2015-06-23 Brandt A. L. Gaches , Stella S. R. Offner , Erik W. Rosolowsky , Thomas G. Bisbas

We use numerical simulations of turbulent cluster-forming regions to study the nature of dense filamentary structures in star formation. Using four hydrodynamic and magnetohydrodynamic simulations chosen to match observations, we identify…

Astrophysics of Galaxies · Physics 2015-06-23 Helen Kirk , Ralph Pudritz , Mikhail Klassen , Samantha Pillsworth